Physical Sciences and Mathematics Commons^™

Single Crystal To Single Crystal Polymerization Of A Columnar Assembled Diacetylene Macrocycle, Weiwei Xu

Theses and Dissertations

Organic tubular materials have attracted lots of attentions for their potential applications as nanoscale fluidic transport systems, specific ion sensors, molecular sieves and confined molecular reaction containers. While conjugated polymers, due to delocalized Pi electrons, exhibit interesting solar cells and sensors applications. In this thesis, we developed a conjugated polymer which combines the attributes of conjugated polymers with tubular materials, which should have great potential to work as a sensing material.

We reproduced and scaled-up the synthesis of a polymerizable macrocycle 1 that contains two rigidly separated diacetylene units. We found that, through hydrogen bonding, 1 can assemble into columnar …

Instrument And Method Development For Single-Cell Classification Using Fluorescence Imaging Multivariate Optical Computing, Joseph Swanstrom

Theses and Dissertations

Multivariate optical computing (MOC) is an all-optical approach of predictive spectroscopy that utilizes multivariate calibration and spectral pattern recognition techniques while operating in a simple filter photometer instrument, removing the need for expensive instrumentation and post-processing of spectral data. This is accomplished with specially designed interference filters called multivariate optical elements (MOEs). MOC can provide analytical solutions for applications requiring low cost, rugged, and simple to operate instrumentation for use in remote and hazardous environments such as open ocean waters. These instrument specifications are central for developing a method for classifying phytoplankton in their natural environment. Phytoplankton are photosynthetic single …

Iridium-Ruthenium/Osmium-Gold Cluster Complexes: Unique Structures And Properties, Qiang Zhang

Theses and Dissertations

Chapter Two

The first Ir-Ru cluster complex was synthesized was the electron-rich, anionic, planar cluster complex [PPN][IrRu6(CO)23], 2.5, (PPN=Bis(triphenylphophoranylidene)-ammonium) which obtained from the reaction of [PPN][IrRu3(CO)13] with one equivalent ruthenium carbonyl (Ru3(CO)12) at 66 oC (THF reflux) for 12h. Compound 2.5 could also be synthesized by using the mono-Iridium compound [PPN][Ir(CO)4] reacts with two equivalent of ruthenium carbonyl. In compound 2.5, all seven metal atoms lie in a plane (max deviation = 0.043(1) Å) with the iridium atom in the center circumscribed by a hexagonal ring of six ruthenium atoms. The anion 2.5 contains 104 valence electrons while both the …

Silylation-Based Kinetic Resolution Of Α-Hydroxy Carbonyl Compounds And Synthesis Of Chiral Isothiourea Catalysts, Yan Zhang

Theses and Dissertations

The thesis describes the silylation-based kinetic resolution for α-hydroxy carbonyl compounds catalyzed by isothiourea catalyst as well as our effort to make novel chiral isothiourea catalyst.

In Chapter 1, general background will be introduced, including chirality, general methods to obtain enantiopure compounds and kinetic resolution. In Chapter 2, the mechanism of the chiral recognition was discussed and a novel isothiourea catalyst was design to investigate the mechanism. The synthesis of the new catalyst was also described in this chapter.

In Chapter 3, the silylation-based kinetic resolution for α-hydroxy carbonyl compounds will be discussed. Since silylation-based kinetic resolution have already been …

Selected Research In Covering Systems Of The Integers And The Factorization Of Polynomials, Joshua Harrington

Theses and Dissertations

In 1960, Sierpi\'{n}ski proved that there exist infinitely many odd positive integers $k$ such that $k\cdot 2^n+1$ is composite for all positive integers $n$. Such integers are known as Sierpi\'{n}ski numbers. Letting $f(x)=ax^r+bx+c\in\mathbb{Z}[x]$, Chapter 2 of this document explores the existence of integers $k$ such that $f(k)2^n+d$ is composite for all positive integers $n$. Chapter 3 then looks into a polynomial variation of a similar question. In particular, Chapter~\ref{CH:FH} addresses the question, for what integers $d$ does there exist a polynomial $f(x)\in\mathbb{Z}[x]$ with $f(1)\neq -d$ such that $f(x)x^n+d$ is reducible for all positive integers $n$. The last two chapters of …

Shimura Images Of A Family Of Half-Integral Weight Modular Forms, Kenneth Allan Brown

Theses and Dissertations

In 1973, Shimura introduced a family of maps between modular forms of half-integral weight and modular forms of even integral weight. We will give explicit formulas for the images of two different classes of modular forms under these maps. In contrast to Shimura's difficult analytic construction, our formulas will fall out of relatively simple combinatorial derivations. Using the Shimura correspondence, we will prove congruences for the eigenvalues of a family of eigenforms introduced by Garvan. Using deep results of Eichler and Shimura, we state these congruences in terms of the number of points on associated elliptic curves, and we provide …

Study Of Porous, Crystalline Supramolecular Boronates, Vincenzo Michael Disantis

Theses and Dissertations

Porous materials with the ability to selectively absorb volatile organic compounds are of high interest for applications in sensing, sequestration and separations. Utilizing the covalent yet reversible boronate ester bonds between boronic acids and diols in conjunction with dative boron-nitrogen coordination bonds has allowed for the discovery of a new class of porous materials. Preliminary results show the ability to obtain porous, crystalline supramolecular boronate networks from the coordination of diamine linkers with boronate diester backbones. Further exploration of porous, crystalline supramolecular boronates has revealed the discovery of a porous crystalline coordination polymer that exhibits reversible, selective guest adsorption properties …

Thermal History Of Nearly Metamict Zircon Of The Taza-Guercif Basin (Morocco) Revealed Using Scanning Electron Microscope High-Density Fission-Track Dating, Tyler Michael Izykowski

Theses and Dissertations

Northwest Africa provides unique insight into a wide range of geologic processes throughout a vast portion of Earth's history. Moroccan geology in particular can provide valuable insight, from the formations of West Africa through the Eburnian orogeny (~2000 Ma), Gondwana during the Pan-African orogeny (~900-500 Ma), and Pangaea by means of the Hercynian (Variscan) orogeny (~400-300 Ma), to more recent crustal and climatic events, such as the Messinian salinity crisis (5.96-5.33 Ma). However, the current lack of western literature regarding this region presents a significant obstacle in understanding the aforementioned processes. Herein, I employ a new technique in zircon fission-track …

The Effects Of Mean Sea Level And Tidal Amplitude On Ground Water Discharge And Pore-Water Salinity Distribution Along A Forest/Marsh Boundary, North Inlet, Sc, John Bradley Peurifoy

Theses and Dissertations

Advective groundwater flow in salt marshes is an important mechanism through which nutrients are exported to adjacent coastal waters. Groundwater flow also influences the distribution of pore-water salinity in the subsurface marsh, which affects botanical zonation, nutrient transport, and primary productivity. Recent idealized marsh island simulations have suggested that increases in tidal amplitude result in increased groundwater discharge, and that the elevation of MWL relative to the marsh platform is inversely related to groundwater discharge. These simulations were only representative of marsh islands (as opposed to forest-marsh boundaries) and relied on simulated tides and MWL position. The results were not …

Generalizations Of Sperner's Theorem: Packing Posets, Families Forbidding Posets, And Supersaturation, Andrew Philip Dove

Theses and Dissertations

Sperner's Theorem is a well known theorem in extremal set theory that gives the size of the largest antichain in the poset that is the Boolean lattice. This is equivalent to finding the largest family of subsets of an $n$-set, $[n]:=\{1,2,\dots,n\}$, such that the family is constructed from pairwise unrelated copies of the single element poset. For a poset $P$, we are interested in maximizing the size of a family $\mathcal{F}$ of subsets of $[n]$, where each maximally connected component of $\mathcal{F}$ is a copy of $P$, and finding the extreme configurations that achieve this value. For instance, Sperner showed …

Geochemical Source Components In Seafloor Lavas In The Aleutian Back-Arc, Max Thomas Siegrist

Theses and Dissertations

Whole-rock compositions of seafloor lavas are used to constrain the processes and source characteristics contributing to the formation of geochemically distinctive, primitive magma types located in the Aleutian back-arc. Samples were dredged primarily from small volcanic cones on the seafloor, located between the emergent volcanoes and in the back-arc up to 60 km from the volcanic front. Compositions vary from basalt to dacite, with 48-70 % SiO₂ and 4-13 % MgO. Nearly 30% of the samples are primitive, with Mg/Mg+Fe >0.60. Most primitive samples are basalts, which fall into two groups, based on minor and trace element abundances. Low/med-K …

Analysis And Processing Of Irregularly Distributed Point Clouds, Kamala Hunt Diefenthaler

Theses and Dissertations

We address critical issues arising in the practical implementation of processing real point cloud data that exhibits irregularities. We develop an adaptive algorithm based on Learning Theory for processing point clouds from a stationary sensor that standard algorithms have difficulty approximating. Moreover, we build the theory of distribution-dependent subdivision schemes targeted at representing curves and surfaces with gaps in the data. The algorithms analyze aggregate quantities of the point cloud over subdomains and predict these quantities at the finer level from the ones at the coarser level.

Programmable Polymers Preparation Optimization And Applications On Solute Templates, Yinyan He

Theses and Dissertations

Programmable polymer is a type of stimuli-responsive polymer which can keep their induced properties after removal of the stimulu, as well as programmable polymers maintain the general properties as stimuli-responsive polymers, such as recognize and respond to the stimulus. The previous reported solvent Caryl-Nimide bonds based programmable polymers (SPP-1) can freely rotate and change the carboxylic acid recognition group orientation in response to templates. Solvent templates were used in the SPP-1. One potential application for SPPs is using their recognition and memory properties for the identification and separation of mixture solutions of various analytes. In my first project, I wanted …

Nanoparticle Self-Assembly And Ultrafast Nanomagnet Switching Dynamics, Longfei Ye

Theses and Dissertations

A novel manufacturing technology that offers a low-cost alternative for creating more complex optical materials that are assembled with single-nanometer precision is demonstrated. Using the enormous magnetic field gradients present near the surface of magnetic recording media, colloidally suspended superparamagnetic nanopartilces are self-assembled into patterned microstructures.

The position and shape of these microstructures are precisely controlled by magnetic patterns on the template. The template that can be reprogrammed and reused is magnetically recorded using commercial magnetic recording technology. These microstructures consisting entirely of self-assembled magnetic nanoparticles are then transferred to flexible polymer thin films with patterns maintained. In particular, all-nanoparticle …

Biomaterial-Induced Osteogenesis Of Mesenchymal Stem Cells By Surface Roughness And Functionalization, Pongkwan Sitasuwan

Theses and Dissertations

For tissue engineering and regenerative medicine, it is important to understand factors directing the stem cell fate, including self-renewal, proliferation, differentiation, and apoptosis. Bone marrow derived mesenchymal stem cells (BMSCs) have the potential to differentiate into osteoblasts, chondrocytes, adipocytes, and smooth muscle cells. Specifically, in the field of bone tissue engineering, BMSCs are commonly used for in vitro osteogenesis studies. However the mechanisms and signaling pathways that these cells recognize material surface and utilize to differentiate are still unclear. This dissertation focuses on investigating the effect of surface nanotopography and functionalization on the promotion of osteogenic differentiation of BMSCs. Surface …

Structural And Photoluminescent Characterization Of Substituted A3mo4f (A = Sr, Ba, Ca; M = Al, Ga, In, Si And Ge), Robert Lenwood Green

Theses and Dissertations

In this dissertation, the structure and photoluminescent properties of A3MO4F-type materials (A = Sr, Ba, Ca; M =Al, Ga, In, Si, Ge) are studied as potential phosphors for compact fluorescent lamps (CFLs) and phosphor converted light emitting diode (pc LED) lights. Chapter 1 outlines background information of the evolution of lighting technology as well as detailing the synthesis, structural characterization and photoluminescence measurements. Chapter 2 focuses on the changes that the Sr3AlO4F structure undergoes as a result of exposure to a 5% H2/95% Ar atmosphere. High-resolution neutron powder diffraction is used to probe for minute structural changes. Chapter 3 is …

Functional Block Copolymers For Applications In Advanced Materials, Energy Storage, And Lithography, Christopher George Hardy

Theses and Dissertations

Block copolymers spontaneously self-assembly into a wide variety of ordered nanostructures on the length scale of 5 - 100 nm due to the thermodynamic immiscibility between the covalently linked, chemically distinct polymer chains. Incorporating desirable functional groups into block copolymer systems can lead to confinement of the functional group to a specific domain upon microphase separation of the block copolymer. The resulting materials display desirable characteristics of the functional group in a well-ordered nanostructure. Such systems have been utilized in a wide variety of applications including catalysis, ceramic materials, and membranes. This dissertation is focused on the synthesis, characterization, self-assembly …

Renewable Bio-Based Polymers And Degradable Functional Polymers, Kejian Yao

Theses and Dissertations

In this dissertation, polymers derived from renewable bio-based resources and degradable functional polymers with stimuli-responsive properties by various polymerization techniques were investigated. The properties of these polymeric materials were characterized and discussed.

In Chapter 1, the overall background and recent development of renewable bio-based polymers as well as degradable stimuli-responsive polymers was introduced. Major research objectives of my doctoral work were described.

The first section of the dissertation, on the preparation of renewable bio-based polymers was provided from Chapter 2 to Chapter 4. In Chapter 2, the preparation of novel polymers derived from renewable gum rosin by atom transfer radical …

Estimation And Q-Matrix Validation For Diagnostic Classification Models, Yuling Feng

Theses and Dissertations

Diagnostic classification models (DCMs) are structured latent class models widely discussed in the field of psychometrics. They model subjects' underlying attribute patterns and classify subjects into unobservable groups based on their mastery of attributes required to answer the items correctly. The effective implementation of DCMs depends on correct specification of a Q-matrix which is a binary matrix linking attribute patterns to items. Current literature on assessing the appropriateness of Q-matrix specifications has focused on validation methods for the deterministic-input, noisy-and-gate (DINA) model. The goal of the study is to develop general Q-matrix validation methods that can be applied to a …

Charlie: A New Robot Prototype For Improving Communication And Social Skills In Children With Autism And A New Single-Point Infrared Sensor Technique For Detecting Bbeathing And Heart Rate Remotely, Laura Boccanfuso

Theses and Dissertations

This research delivers a new, interactive game-playing robot named CHARLIE and a novel technique for remotely detecting breathing and heart rate using a single-point, thermal infrared sensor (IR). The robot is equipped with a head and two arms, each with two degrees of freedom, and a camera. We trained a human hands classifier and used this classifier along with a standard face classifier to create two autonomous interactive games: single-player ("Imitate Me, Imitate You") and two-player ("Pass the Pose"). Further, we developed and implemented a suite of new interactive games in which the robot is teleoperated by remote control. Each …

Protein Identification Using Bayesian Stochastic Search, Christina Nicole Lewis

Theses and Dissertations

Current methods for protein identification in tandem mass spectrometry (MS/MS) involve database searches or de novo peptide sequencing, with database searches being the standard method. With database searches, issues arise when the species is not in the database. Shortcomings of de novo peptide sequencing and database searches include chemical noise, overly complex fragments, and incomplete b and y ion sequences. Here we present a Bayesian approach to identifying peptides. Our model uses prior information about the average relative abundances of bond cleavages and the prior probability of any particular amino acid sequence. The proposed likelihood function is composed of two …

Modeling Mixed Unfolding/Monotone Dichotomous Item Exams, Na Yang

Theses and Dissertations

Item response theory (IRT) is widely applied to analyze educational and psychological assessments. Readily available IRT implementations allow for two common types of models: monotone models used for dominance scales (Guttman 1950; Rasch 1960/1980; Birnbaum 1968; Mokken 1971) and unfolding models used for proximity scales (Coombs, 1964; Andrich, 1996; Roberts, Donoghue and Laughlin, 2000).

When an exam contains items following both types of models, there is currently no method to distinguish the item types, estimate their characteristics, or estimate the examinee characteristics. Thus, there is no existing methodology to simultaneously analyze items like ``At a minimum, I am in favor …

The Complete Plus-Minus: A Case Study Of The Columbus Blue Jackets, Nathan Spagnola

Theses and Dissertations

A new hockey statistic termed the Complete Plus-Minus (CPM) was created to calculate the abilities of hockey players in the National Hockey League (NHL). This new statistic was used to analyze the Columbus Blue Jackets for the 2011-2012 season. The CPM for the Blue Jackets was created using two logistic regressions that modeled a goal being scored for and against the Blue Jackets. Whether a goal was scored for or against the team were the responses, while events on the ice were the predictors in the model. It was found that the team's poor performance was due to a weak …

Structure And Thermodynamics Of H3o+(H2o)8 Clusters: A Combined Molecular Dynamics And Quantum Mechanics Approach, Berhane Temelso, Thorsten Koddermann, Karl K. Kirschner, Katurah L. Klein, George C. Shields

Faculty Journal Articles

We have studied the structure and stability of (H₃O⁺)(H₂O)₈ clusters using a combination of molecular dynamics sampling and high-level ab initio calculations. 20 distinct oxygen frameworks are found within 2 kcal/mol of the electronic or standard Gibbs free energy minimum. The impact of quantum zero-point vibrational corrections on the relative stability of these isomers is quite significant. The box-like isomers are favored in terms of electronic energy, but with the inclusion of zero-point vibrational corrections and entropic effects tree-like isomers are favored at higher temperatures. Under conditions from 0 to 298.15 K, the …

Tropical Cyclone Intensity Estimation Using Temporal And Spatial Features From Satellite Data, Gholamreza Fetanat Haghighi

Dissertations

Accurate intensity estimation of tropical cyclones (TC) is an important topic of research due to its economic impact and public safety concerns. An accurate measure of the current wind strength is necessary to accurately predict TC intensity. We have developed and tested automated method to estimate TC intensity based on the existing historical satellite images alone. The Hurricane Satellite data (HURSAT-B1) is used to develop the algorithm, which focuses on the North Atlantic from 1978-2009. The algorithm is trained and validated using aircraft reconnaissance-based data. Here, the data is restricted to include only fixes that are over water and are …

Adoption Of Green Building Practices And Rating System In Kenya: Potentials And Barriers, Peter Khaemba

Dissertations

This research study was undertaken to identify (a) green building rating attributes that could be adopted for Kenya, and (b) barriers to initial adoption of green building practices and a green building rating system in Kenya. The study was primarily built on the premise of select rating and adoption attributes in existing green building standards, especially Leadership in Energy and Environmental Design (LEED). A pilot phase of the study was conducted using a combination of focus groups and personal interviews. The pilot findings became the basis of a questionnaire that was utilized to survey a sample of 608 registered building …

A Systematic Approach To Manage Missing Data In Pavement Management Systems, Mazin M. Al-Zou'bi

Open Access Theses & Dissertations

Pavements are an important part of the highway transportation infrastructure, accounting for the largest share of the overall investment. A tremendous amount of time and money is spent each year on the construction of new pavements, as well as on the maintenance and rehabilitation of existing pavements.

Transportation agencies use pavement management systems (PMS) for their maintenance and rehabilitation planning, programming, and budgeting. PMS are used to make decisions regarding when maintenance and rehabilitation should be applied. The systems also select what type of treatment should be applied for each pavement section in the network with clear estimations of the …

Modeling The Human Gait Phases Using Granular Computing, Melaku Ayenew Bogale

Open Access Theses & Dissertations

Gait analysis is applied for the provision of diagnosis, evaluation, and for the design of therapeutic intervention for subjects suffering from neurological disorders. The benefits accruing from gait analysis are well established. People with neurological disorders like mild traumatic brain injury, Cerebral Palsy and Multiple Sclerosis, suffer associated functional gait problems. The symptoms and sign of these gait deficits are different from subject to subject and even for the same subject at different stage of the disease. Identifying these gait related abnormalities helps in the treatment planning and rehabilitation process.

The dynamic behavior of gait parameters is cyclic and the …

Application Of Various Remote Sensing And Aerial Photography Data Sets To Resolve Surface Structure In Areas Of Poor Exposure: Examples From Kamchatka Peninsula, Russia And Katalla Area, Alaska Usa, Sarah Natalie Heinlein

Open Access Theses & Dissertations

For many years now remote sensing data sets and application techniques of these various data have been routinely used in geological studies. Some of these studies are as basic as using Google Earth applications for general reconnaissance to more sophisticated methods for energy exploration or development of active tectonic models for a region. This dissertation presents data from two study areas within the northern pacific region utilizing a number of remote sensing and aerial photography data: 1) Kamchatka Peninsula, Russia, and 2) Katalla area of southern Alaska, USA. The Kamchatka Peninsula, Russia study evaluates surface geomorphology which includes the morphology …

Analysis Of Vehicle Interactions On Interstate Highways: Discrete Choice And Linear System Approaches, Alicia Romo

Open Access Theses & Dissertations

The research in this dissertation developed statistical and linear system models to predict driving behavior according to driver attributes, vehicle characteristics, car-following dynamics and/or driving conditions. The scope of this research was limited to the interaction of two vehicles traveling in the same direction on interstate highways.

The statistical models proposed in this research investigated the contributions of the different vehicle types on the manner and likelihood of collision. Discrete choice models were used to estimate the probability of the types of collision (rear-end, angle and sideswipe) as functions of driver attributes, striking and struck vehicle types, pre-crash driving actions …